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Information card for entry 4108849
Preview
Coordinates | 4108849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 B N8 O3 P W |
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Calculated formula | C22 H32 B N8 O3 P W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C(N(C=C[CH]3=1)C(=O)C)CC(=O)C |
Title of publication | Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity |
Authors of publication | Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16844 - 16845 |
a | 11.631 ± 0.001 Å |
b | 13.951 ± 0.001 Å |
c | 16.647 ± 0.001 Å |
α | 90° |
β | 91.69 ± 0.002° |
γ | 90° |
Cell volume | 2700 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0892 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1449 |
Weighted residual factors for all reflections included in the refinement | 0.1582 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71074 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108849.html
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